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14818-54-3 | AcetaMide, 2,2,2-trifluoro-N-(2,4,6-triMethylphenyl)-
CAS No: 14818-54-3 Catalog No: AG001FIE MDL No:
Product Description
Catalog Number:
AG001FIE
Chemical Name:
AcetaMide, 2,2,2-trifluoro-N-(2,4,6-triMethylphenyl)-
CAS Number:
14818-54-3
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
IUPAC Name:
2,2,2-trifluoro-N-(2,4,6-trimethylphenyl)acetamide
InChI:
InChI=1S/C11H12F3NO/c1-6-4-7(2)9(8(3)5-6)15-10(16)11(12,13)14/h4-5H,1-3H3,(H,15,16)
InChI Key:
RAVMYLIAQVRULB-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1c(C)cc(cc1C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.218g/mol
Monoisotopic Mass:
231.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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